isogosterone C
| Internal ID | b5177b90-2101-4399-a9fb-d20d1be23e3d |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives |
| IUPAC Name | [(1R,2S,2'S,3S,4aS,4bR,10aR)-2'-[(2R)-3-acetyloxy-6-methylheptan-2-yl]-2,2'-dihydroxy-2,4b-dimethyl-7-oxospiro[3,4,4a,9,10,10a-hexahydrophenanthrene-1,5'-oxolane]-3-yl] acetate |
| SMILES (Canonical) | CC(C)CCC(C(C)C1(CCC2(O1)C3CCC4=CC(=O)C=CC4(C3CC(C2(C)O)OC(=O)C)C)O)OC(=O)C |
| SMILES (Isomeric) | C[C@H](C(CCC(C)C)OC(=O)C)[C@@]1(CC[C@@]2(O1)[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C[C@@H]([C@]2(C)O)OC(=O)C)C)O |
| InChI | InChI=1S/C31H46O8/c1-18(2)8-11-26(37-20(4)32)19(3)31(36)15-14-30(39-31)24-10-9-22-16-23(34)12-13-28(22,6)25(24)17-27(29(30,7)35)38-21(5)33/h12-13,16,18-19,24-27,35-36H,8-11,14-15,17H2,1-7H3/t19-,24-,25+,26?,27+,28+,29+,30-,31+/m1/s1 |
| InChI Key | PVZHSMTYGAKBDL-PZKLDJMMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H46O8 |
| Molecular Weight | 546.70 g/mol |
| Exact Mass | 546.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 3.90 |
| CHEMBL474461 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.02% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.12% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.78% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.75% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.49% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.75% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.49% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.30% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.03% | 95.56% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 85.69% | 92.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.59% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.35% | 96.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.97% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.86% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.56% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.34% | 82.69% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.97% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.51% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.31% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.02% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 80.42% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.03% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 44575340 |
| LOTUS | LTS0015472 |
| wikiData | Q105215678 |